dec-2-enyl-methyl-nonyl-octylsilane

C28H58Si — CID 173411847

IUPACdec-2-enyl-methyl-nonyl-octylsilane
SMILESCCCCCCCC=CC[Si](C)(CCCCCCCC)CCCCCCCCC
InChIInChI=1S/C28H58Si/c1-5-8-11-14-17-19-22-25-28-29(4,26-23-20-16-13-10-7-3)27-24-21-18-15-12-9-6-2/h22,25H,5-21,23-24,26-28H2,1-4H3
InChIKeyJELVCXORDODWHO-UHFFFAOYSA-N
MW422.86 g/mol
LogP11.09
Rot. Bonds23

About dec-2-enyl-methyl-nonyl-octylsilane

dec-2-enyl-methyl-nonyl-octylsilane (PubChem CID 173411847) has the molecular formula C28H58Si and a molecular weight of 422.86 g/mol. Its IUPAC name is dec-2-enyl-methyl-nonyl-octylsilane.

Molecular Properties

Compound Namedec-2-enyl-methyl-nonyl-octylsilane
PubChem CID173411847
Molecular FormulaC28H58Si
Molecular Weight422.86 g/mol
Exact Mass422.43
IUPAC Namedec-2-enyl-methyl-nonyl-octylsilane
SMILESCCCCCCCC=CC[Si](C)(CCCCCCCC)CCCCCCCCC
InChIInChI=1S/C28H58Si/c1-5-8-11-14-17-19-22-25-28-29(4,26-23-20-16-13-10-7-3)27-24-21-18-15-12-9-6-2/h22,25H,5-21,23-24,26-28H2,1-4H3
InChIKeyJELVCXORDODWHO-UHFFFAOYSA-N
XLogP11.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.86
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl-[(E)-oct-2-enyl]-dioctylsilane
CID 173411896
didecyl-methyl-oct-6-enylsilane
CID 54351323
heptadeca-5,9-diene
CID 123203573
(5E,9E)-nonacosa-5,9-diene
CID 56936191
(Z)-tricos-11-ene
CID 5356790
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
(24Z)-hexatriaconta-9,24-diene
CID 173127472
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239

Frequently Asked Questions

What is the IUPAC name of dec-2-enyl-methyl-nonyl-octylsilane?
The IUPAC name of dec-2-enyl-methyl-nonyl-octylsilane (CID 173411847) is dec-2-enyl-methyl-nonyl-octylsilane.
What is the SMILES notation for dec-2-enyl-methyl-nonyl-octylsilane?
The canonical SMILES for dec-2-enyl-methyl-nonyl-octylsilane is CCCCCCCC=CC[Si](C)(CCCCCCCC)CCCCCCCCC.
What is the InChIKey of dec-2-enyl-methyl-nonyl-octylsilane?
The InChIKey is JELVCXORDODWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58Si/c1-5-8-11-14-17-19-22-25-28-29(4,26-23-20-16-13-10-7-3)27-24-21-18-15-12-9-6-2/h22,25H,5-21,23-24,26-28H2,1-4H3.
What are the key properties of dec-2-enyl-methyl-nonyl-octylsilane?
dec-2-enyl-methyl-nonyl-octylsilane has a molecular weight of 422.86 g/mol, XLogP of 11.09, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dec-2-enyl-methyl-nonyl-octylsilane is sourced from PubChem (CID 173411847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).